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Chrysoine Resorcinol
CAS: 547-57-9 | C12H10N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
547-57-9
Molecular Formula:
C12H10N2NaO5S
Molecular Mass:
317.28 g/mol
Names and Synonyms:
Chrysoine Resorcinol
Benzenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-, sodium salt (1:1)
Chrysoin S
C.I. Acid Orange 6
C.I. Acid Orange 6, monosodium salt
Benzenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-, monosodium salt
Benzenesulfonic acid, p-(2,4-dihydroxyphenylazo)-, sodium salt
C.I. 14270
Acid Leather Yellow PGW
Acid Phosphine G New
Acme Yellow Acid Yellow RS
Cetil Chromine Yellow GR
Chrysoin G
Chrysoine
Chrysoine N
Chrysoine S
Chrysoine Extra
Chrysoine Extra Pure A
Chrysoine S Extra Pure
Chrysoin S Specially Pure
C.I. Food Yellow 8
Curol Orange G
Dermina Yellow G
2,4-Dihydroxyazobenzene-4′-sulfonate sodium salt
Eniacid Yellow RS
Eurocert Chrysoine S
Gold yellow
Hispacid Yellow CG
Naphthazine Yellow RP
Neklacid Yellow G
Orange Acid G
Resorcine Yellow
Resorcine Yellow O Extra
Resorcinol yellow
Resorcinol Yellow A
Resorcin yellow
Sodium azoresorcinolsulfanilate
Tertracid Yellow TRO
Tropaeolin O
Tropaeolin R
Tropaeoline
Yellow T
Chrysonine S
Tropeolin O
E 103 (dye)
E 103
Acid Orange 6
C Yellow 12
Orange VI
Chrysoin
Tropaeolin
Food Yellow 8
Food Yellow No. 8
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1.[Na]
InChI:
InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.28 g/mol | CAS Common Chemistry |
| 317.278 g/mol | RDKit | |
| 317.0208117 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chrysoine_resorcinol | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(O)C=C2O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=IHFYTCCYSYGTME-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Orange 6 | CAS Common Chemistry |
| Chrysoine resorcinol | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 119.55000000000001 Ų | RDKit |
| LogP | 2.3791 | RDKit |
| Molar Refractivity | 75.95820000000002 | RDKit |
